Molecule

ID:24706

General Information
Structure
MolImage
Molecular Formula
C₅H₇NO₃
Molecular Mass
129.11398
Exact Mass
129.04259309
Charge
0
InChI
InChI=1S/C5H7NO3/c7-4-1-3(2-6-4)5(8)9/h3H,1-2H2,(H,6,7)(H,8,9)
InChIKey
GZVHQYZRBCSHAI-UHFFFAOYSA-N
Canonic Smiles
O=C1NCC(C1)C(=O)O
Isomeric Smiles
C1(C(=O)O)CC(=O)NC1
Calculated Properties
JChem
Acid pKa
4.015236
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.6958175
LogD (pH = 7.4)
-4.3512235
Log P
-1.2009573
Molar Refractivity
28.3438
Polarizability
11.10192
Polar Surface Area
66.4
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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